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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) 3I0ad-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2233.75524633; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) 3I8-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2233.81776636; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS0-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ; 6-31G(d)-2233.75023057; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS1-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ; 6-31G(d)-2233.80215972; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I8-SP-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-311++G(d,p)-2234.26974643; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I1-SP-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-311++G(d,p)-2234.24800411; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me)/Single_Point_Calculations TS0-SP-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-311++G(d,p)-2234.20685401; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me)/Single_Point_Calculations TS1-SP-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-311++G(d,p)-2234.24857073; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I0ad-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.42346857; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I1-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.48580334; Eh
Results 1-10 of 28 (Search time: 0.001 seconds).